4-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C25H31N3O6S3 MolecularWeight: 565.72514

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O6S3/c1-3-34-17-16-28-22-13-12-21(36(2,30)31)18-23(22)35-25(28)26-24(29)19-8-10-20(11-9-19)37(32,33)27-14-6-4-5-7-15-27/h8-13,18H,3-7,14-17H2,1-2H3